4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile

C19H17FN4O2 — CID 121379551

IUPAC4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile
SMILESCOc1ncc(-c2c(C)noc2C)cc1NCc1ccc(C#N)cc1F
InChIInChI=1S/C19H17FN4O2/c1-11-18(12(2)26-24-11)15-7-17(19(25-3)23-10-15)22-9-14-5-4-13(8-21)6-16(14)20/h4-7,10,22H,9H2,1-3H3
InChIKeySGAHEIJHQVKERN-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.98
Rot. Bonds5

About 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile

4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile (PubChem CID 121379551) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile
PubChem CID121379551
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile
SMILESCOc1ncc(-c2c(C)noc2C)cc1NCc1ccc(C#N)cc1F
InChIInChI=1S/C19H17FN4O2/c1-11-18(12(2)26-24-11)15-7-17(19(25-3)23-10-15)22-9-14-5-4-13(8-21)6-16(14)20/h4-7,10,22H,9H2,1-3H3
InChIKeySGAHEIJHQVKERN-UHFFFAOYSA-N
XLogP3.98
TPSA83.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile with MolForge

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Related Compounds

5-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]thiophene-2-carbonitrile
CID 121379560
4-[(2-cyano-5-methoxyanilino)methyl]-3-fluorobenzonitrile
CID 81297290
4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 65418398
3-fluoro-4-[[(5-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 63359185
3-fluoro-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 103275490
ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane
CID 177246951
4-[(3,4-dimethoxyanilino)methyl]-3-fluorobenzonitrile
CID 28575181
2-[(4-cyano-2-fluorophenyl)methylamino]-3-methylbenzonitrile
CID 107106233
3-fluoro-4-[(3-fluoro-4-methoxyanilino)methyl]benzonitrile
CID 43380821
4-[(2-chloro-5-methylanilino)methyl]-3-fluorobenzonitrile
CID 103768039
3-fluoro-4-[(4-fluoro-2-iodoanilino)methyl]benzonitrile
CID 79769186
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorobenzonitrile
CID 103792121

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile (CID 121379551) is 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile is COc1ncc(-c2c(C)noc2C)cc1NCc1ccc(C#N)cc1F.
What is the InChIKey of 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile?
The InChIKey is SGAHEIJHQVKERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-11-18(12(2)26-24-11)15-7-17(19(25-3)23-10-15)22-9-14-5-4-13(8-21)6-16(14)20/h4-7,10,22H,9H2,1-3H3.
What are the key properties of 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile?
4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile has a molecular weight of 352.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-3-pyridinyl]amino]methyl]-3-fluorobenzonitrile is sourced from PubChem (CID 121379551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).